SCHEMBL6573948

SCHEMBL6573948

Cc1cc(C(=O)C(C)C)c(C)cc1NC(=O)CNc1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.47
MAPT P10636 9/20 0.47
GAA P10253 6/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
MAPK1 P28482 1/20 0.43
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
GRK2 P25098 1/20 0.39
NLRP1 Q9C000 1/20 0.39
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6571927 0.82 ALDH1A1 (0.47) ALDH1A1MAPTGAAHSP90AA1HSP90AB1
SCHEMBL6574337 0.79 ALDH1A1 (0.42) ALDH1A1MAPTGAAPKMKMT2A
SCHEMBL16208436 0.77 ALDH1A1 (0.59) ALDH1A1MAPTGAAPKMKMT2A
SCHEMBL6572911 0.76 ALDH1A1 (0.44) ALDH1A1MAPTGAAPKMKMT2A
SCHEMBL6574024 0.73 ALDH1A1 (0.43) ALDH1A1MAPTGAAPKMKMT2A
SCHEMBL6766013 0.72 ALDH1A1 (0.42) ALDH1A1MAPTGAAPKMKMT2A
SCHEMBL6574412 0.72 ALDH1A1 (0.42) ALDH1A1MAPTGAAPKMKMT2A
SCHEMBL20941673 0.72 ALDH1A1 (0.59) ALDH1A1MAPTGAAPKMKMT2A
SCHEMBL20941786 0.70 NPSR1 (0.58) ALDH1A1MAPTGAAPKMKMT2A
SCHEMBL20941565 0.70 ALDH1A1 (0.59) ALDH1A1MAPTGAAPKMKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-12-09 US disclosed
EP-1414790-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-05-06 EP disclosed
WO-2003000653-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO.KG (DE) 2003-01-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions NAT1, CYP3A5, CYP3A7 ALDH1A1 669/4885MAPT 449/4885GAA 454/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.